[(2S)-2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethyl]azanium

Systemtic Name: [(2S)-2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-phenyl-ethyl]ammonium CAS Name: [(2S)-2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-phenylethyl]ammonium IUPAC Name: [(2S)-2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-2-phenyl-ethyl]ammonium Formula: C20H29N3+2 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(C[NH3+])C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)[C@H](C[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C20H27N3/c1-17-6-5-7-18(14-17)16-22-10-12-23(13-11-22)20(15-21)19-8-3-2-4-9-19/h2-9,14,20H,10-13,15-16,21H2,1H3/p+2/t20-/m1/s1